2EUT

Cytochrome c peroxidase (CCP) in complex with 2-amino-4-picoline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-09
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	43.600, 73.530, 104.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.120
R-factor	0.143
Rwork	0.143
R-free	0.15200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 1AEE
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.160
High resolution limit [Å]	1.120	1.120
Rmerge	0.067	0.430
Number of reflections	124366
<I/σ(I)>	14.3
Completeness [%]	95.9	81.6
Redundancy	8.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	50 mM KPi 20% MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K